SCS-C001538

Glucopiericidin A (GPA)

Pathway: Polyketides Glycoside

Chemical Structure

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Download: SDF SMILES

Source Information

marine-derived actinomycete strains (NA)

Original source name: Streptomyces iakyrus SCSIO NS104; Streptomyces psammoticus SCSIO NS127; marine-derived actinomycete strains

Kingdom Bacillati Phylum Actinomycetota Class Actinomycetes Order NA Family NA Genus NA Species NA

South China Sea

DOI: 10.1016/s1875-5364(25)60866-1 · Chinese Journal of Natural Medicines

Streptomyces iakyrus SCSIO NS104 (NA)

Original source name: Streptomyces iakyrus SCSIO NS104; Streptomyces psammoticus SCSIO NS127; marine-derived actinomycete strains

Kingdom Bacillati Phylum Actinomycetota Class Actinomycetes Order Kitasatosporales Family Streptomycetaceae Genus Streptomyces Species Streptomyces iakyrus

South China Sea

DOI: 10.1016/s1875-5364(25)60866-1 · Chinese Journal of Natural Medicines

Streptomyces psammoticus SCSIO NS127 (Streptomyces)

Original source name: Streptomyces iakyrus SCSIO NS104; Streptomyces psammoticus SCSIO NS127; marine-derived actinomycete strains

Kingdom Bacillati Phylum Actinomycetota Class Actinomycetes Order Kitasatosporales Family Streptomycetaceae Genus Streptomyces Species Streptomyces psammoticus

South China Sea

DOI: 10.1016/s1875-5364(25)60866-1 · Chinese Journal of Natural Medicines

Drug-likeness (Lipinski Ro5)

Molecular Weight

577.7 Da

Threshold ≤ 500

ALogP

3.28

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

1 violation (MW) — borderline drug-like

Chemical Properties

Molecular Formula:

C31H47NO9

Molecular Weight:

577.7150 Da

SMILES:

C/C=C(\C)[C@H](O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)[C@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1nc(OC)c(OC)c(O)c1C

InChIKey:

                        YQOARHMNLCWEPG-SPQXFAAESA-N
                        
                    

InChI:

InChI=1S/C31H47NO9/c1-9-19(4)28(41-31-27(37)26(36)25(35)23(16-33)40-31)20(5)15-18(3)12-10-11-17(2)13-14-22-21(6)24(34)29(38-7)30(32-22)39-8/h9-10,12-13,15,20,23,25-28,31,33,35-37H,11,14,16H2,1-8H3,(H,32,34)/b12-10+,17-13+,18-15+,19-9+/t20-,23?,25-,26+,27?,28+,31+/m1/s1

Calculated Properties

ALogP:

3.282 lipophilicity

TPSA:

150.96 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

2 (1 aromatic)

Chiral Centers:

Fsp³:

0.5806 fraction sp³ carbon

Database Information

Compound ID:

SCS-C001538

NPClassifier Pathway:

Polyketides

NPClassifier Superclass:

N/A

NPClassifier Class:

N/A

Glycoside:

Yes

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas

Biological Activity Data

No bioactivity data available for this compound.

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